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CAS 1209458-53-6 6-Bromo-N,N-dimethylpyrimidin-4-amine molecular structure lightbox
CAS RN: 1209458-53-6

6-Bromo-N,N-dimethylpyrimidin-4-amine

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 100mg Out of stock 8-10 business days Inquiry
Batchno.20250321 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1209458-53-6
  • Purity/Analytical Methods: >99.0%
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1209458-53-6 / 6-bromo-N,N-dimethylpyrimidin-4-amine

6-BROMO-N,N-DIMETHYLPYRIMIDIN-4-AMINE | MFCD14702799 | SCHEMBL18985894

Standard CAS: 1209458-53-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1209458-53-6
Multi CAS
No
Molecular Formula
C6H8BrN3
Molecular Weight
202.050000
Exact Mass
200.990160
SMILES
CN(C)C1=CC(=NC=N1)Br
InChI
InChI=1S/C6H8BrN3/c1-10(2)6-3-5(7)8-4-9-6/h3-4H,1-2H3
InChIKey
UKPGIRUNMNOEEW-UHFFFAOYSA-N
Synonyms
6-BROMO-N,N-DIMETHYLPYRIMIDIN-4-AMINE MFCD14702799 SCHEMBL18985894 AKOS037648570 MB14278

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
44.06
TPSA
29.02

LogP / Solubility

WLOGP
1.31
MLOGP
1.15
XLogP3
1.7
Consensus LogP
1.39
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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